7alpha-Hydroxytestosterone
Grundinformationen
- CAS
62-83-9- Standard-SMILES
C[C@]12CC[C@H]3[C@@H]([C@H](O)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O- InChIKey
RNCGWYKXAJCOLD-JUKXBMAYSA-N- Summenformel
- C19H28O3
- Durchschnittliche Molmasse
- 304,4 g/mol
Überblick
7alpha -hydroxytestosterone is an androstanoid that is testosterone substituted by a alpha-hydroxy group at position 7. A natural product found in Daphnia magna exposed to the biocide tributyltin. It has a role as an androgen, a mouse metabolite and a Daphnia magna metabolite. It is a 17beta-hydroxy steroid, a 7alpha-hydroxy steroid, a 3-oxo-Delta(4) steroid and an androstanoid. It is functionally related to a testosterone.
Namen und Bezeichner
- Bevorzugter Name
- 7alpha-Hydroxytestosterone
- IUPAC
- (7R,8R,9S,10R,13S,14S,17S)-7,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- Englischer Name
- 7-hydroxytestosterone
- Summenformel
- C19H28O3
- Molmasse
- 304.43
Namen und Synonyme
62-83-97-Hydroxytestosterone7alpha-Hydroxytestosterone6VJJ9I1FHRCHEBI:2295NSC-51179(7R,8R,9S,10R,13S,14S,17S)-7,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one7alpha,17beta-dihydroxyandrost-4-en-3-oneAndrost-4-en-3-one, 7,17-dihydroxy-, (7alpha,17beta)-(7R,8R,9S,10R,13S,14S,17S)-7,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-oneRefChem:5470817?-Hydroxytestosterone
Weitere Namen anzeigen
7α-HydroxytestosteroneClodronate Disodium Impurity 64-ANDROSTEN-7α, 17β-DIOL-3-ONE4-Androstene-7α,17β-diol-3-one7α,17β-Dihydroxyandrost-4-en-3-oneAndrost-4-en-3-one, 7,17-dihydroxy-, (7α,17β)-Testosterone Impurity 47 (7a-Hydroxy Testosterone)4-Androstene-7α,17β-diol-3-one, 7α,17β-Dihydroxyandrost-4-en-3-one
UNII-6VJJ9I1FHR7alpha -hydroxytestosteroneSCHEMBL1332796RNCGWYKXAJCOLD-JUKXBMAYSA-N7.ALPHA.-HYDROXYTESTOSTERONE4-Androstene-7a,17b-diol-3-one,LMST02020068NSC 51179
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 539
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
Physikochemische Eigenschaften
- Schmelzpunkt
- 218 · 218-220 °C
- Siedepunkt
- 478 · 478.0±45.0 °C(Predicted)
- Dichte
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.4 · 14.40±0.70(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesCarc. 2 (100%)
Sicherheitsdaten
- risk_code
- 61-40
- hazard_code
- Xn
- safety_code
- 53-22-36/37/39
Chemie und Industrie
Anwendungen
Verwenden7α-Hydroxytestosterone, is a metabolite of Testosterone (T155000), a principal hormone of the testes, produced by the interstitial cells.
Ergänzende Hinweise
DefinitionChEBI: An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 7. A natural product found in Daphnia magna exposed to the biocide tributyltin
Zugehörige Reaktionen
2
Notizen zur Verbindung
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